BDBM79440 3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine::3-benzyl-7-ethyl-1-[(3-nitrophenyl)methyl]purine-2,6-dione::7-ethyl-1-[(3-nitrophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione::SR-01000067070::SR-01000067070-2::cid_3442864

SMILES CCn1cnc2n(Cc3ccccc3)c(=O)n(Cc3cccc(c3)[N+]([O-])=O)c(=O)c12

InChI Key InChIKey=KLVRRSNTWASLPW-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 79440   

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79440(3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine | 3-ben...)
Affinity DataIC50:  600nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79440(3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine | 3-ben...)
Affinity DataIC50:  173nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79440(3-benzyl-7-ethyl-1-(3-nitrobenzyl)xanthine | 3-ben...)
Affinity DataEC50:  181nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay